SCHEMBL3677263

SCHEMBL3677263

COc1ccccc1-c1ccc(C(C)C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.66
AKR1C2 P52895 9/20 0.66
PTGS2 P35354 3/20 0.62
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
CYP2C19 P33261 2/20 0.51
APP P05067 1/20 0.51
PTGS1 P23219 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
FABP2 P12104 1/20 0.50
TSHR P16473 1/20 0.50
AKR1C4 P17516 1/20 0.50
ADRA2B P18089 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2C P28335 1/20 0.50
DRD3 P35462 1/20 0.50
AKR1C1 Q04828 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
LMNA P02545 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3998350 0.85 PTGS2 (0.58) AKR1C3AKR1C2PTGS2CYP2C19APP
SCHEMBL11845407 0.84 PPARG (0.54) AKR1C3AKR1C2PPARGPPARAKMT2A
SCHEMBL31689002 0.84 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2CYP2C19PTGS1
SCHEMBL3670700 0.84 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2CYP2C19PTGS1
SCHEMBL28966214 0.83 PPARG (0.53) AKR1C3AKR1C2PPARGPPARAKMT2A
SCHEMBL11849673 0.83 AKR1C3 (0.53) AKR1C3AKR1C2PPARGPPARAKMT2A
SCHEMBL7330651 0.83 AKR1C3 (0.71) AKR1C3AKR1C2PTGS2CYP2C19APP
SCHEMBL13653511 0.82 AKR1C3 (0.50) AKR1C3AKR1C2PPARGPPARAKMT2A
SCHEMBL11831356 0.81 PPARG (0.49) AKR1C3AKR1C2PPARGPPARAPTPRC
SCHEMBL5204458 0.81 PPARG (0.54) AKR1C3AKR1C2PPARGPPARAPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 AKR1C3 809/4885AKR1C2 844/4885PTGS2 3523/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.